SCHEMBL6594786

SCHEMBL6594786

N#Cc1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 1.00
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7914736 0.85 PDE5A (0.74) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7678377 0.82 PDE5A (0.76) PDE5A
SCHEMBL6598417 0.81 PDE5A (0.72) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7492759 0.80 PDE5A (0.71) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9029062 0.79 PDE5A (0.67) PDE5A
SCHEMBL6594403 0.79 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7688658 0.79 PDE5A (0.75) PDE5A
Hydrochloric Acid SCHEMBL6593110 0.79 PDE5A (0.68) PDE5A
SCHEMBL7503578 0.77 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7991813 0.77 PDE5A (1.00) PDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722936-B1 FUSED PYRIDAZINE COMPOUND EISAI CO LTD (JP) 2004-05-19 EP disclosed
US-6218392-B1 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, MYOCARDIAL INFARCT AND CHRONIC AND ACUTE CARDIAC FAILURE, PULMONARY HYPERTENSION, ARTERIOSCLEROSIS AND BRONCHIAL ASTHMA EISAI CO., LTD. (JP) 2001-04-17 US disclosed
US-5849741-A Fused pyridazine compounds EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed